2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid

C17H21Cl2NO3 — CID 138045825

IUPAC2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C17H21Cl2NO3/c18-12-3-4-14(15(19)9-12)16(17(21)22)20-7-5-13(6-8-20)23-10-11-1-2-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,21,22)
InChIKeyZZBGCCMCPLMIBD-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid

2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid (PubChem CID 138045825) has the molecular formula C17H21Cl2NO3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid
PubChem CID138045825
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.27 g/mol
Exact Mass357.09
IUPAC Name2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C17H21Cl2NO3/c18-12-3-4-14(15(19)9-12)16(17(21)22)20-7-5-13(6-8-20)23-10-11-1-2-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,21,22)
InChIKeyZZBGCCMCPLMIBD-UHFFFAOYSA-N
XLogP4.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,4-dichlorophenyl)acetic acid
CID 72936573
(2S)-2-(5-chloro-2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetic acid
CID 97204833
(2S)-2-(5-chloro-2-propan-2-yloxyphenyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]acetic acid
CID 97269244
2-(2-chloro-4-fluorophenyl)-2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]acetic acid
CID 167862488
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
CID 97355454
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
CID 95784079
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
1-[(5-chloro-2-ethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 3266859
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid (CID 138045825) is 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid is O=C(O)C(c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid?
The InChIKey is ZZBGCCMCPLMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO3/c18-12-3-4-14(15(19)9-12)16(17(21)22)20-7-5-13(6-8-20)23-10-11-1-2-11/h3-4,9,11,13,16H,1-2,5-8,10H2,(H,21,22).
What are the key properties of 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid?
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid has a molecular weight of 358.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid is sourced from PubChem (CID 138045825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).